1-Methyl-1H-benzo[d]imidazole-6-boronic Acid Pinacol Ester - CAS 1107627-01-9
Catalog: |
BB002669 |
Product Name: |
1-Methyl-1H-benzo[d]imidazole-6-boronic Acid Pinacol Ester |
CAS: |
1107627-01-9 |
Synonyms: |
1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole; 1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole |
IUPAC Name: | 1-methyl-6-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzimidazole |
Description: | 1-Methyl-1H-benzo[d]imidazole-6-boronic Acid Pinacol Ester (CAS# 1107627-01-9) is a useful research chemical. |
Molecular Weight: | 258.12 |
Molecular Formula: | C14H19N2O2B |
Canonical SMILES: | B1(OC(C(O1)(C)C)(C)C)C2=CC3=C(C=C2)N=CN3C |
InChI: | InChI=1S/C14H19BN2O2/c1-13(2)14(3,4)19-15(18-13)10-6-7-11-12(8-10)17(5)9-16-11/h6-9H,1-5H3 |
InChI Key: | HOCIEDFQOUYLSF-UHFFFAOYSA-N |
LogP: | 0.82690 |
Publication Number | Title | Priority Date |
WO-2021139775-A1 | Pyridone compound and application | 20200110 |
WO-2020052631-A1 | Triazolo-pyrimidine compounds and uses thereof | 20180912 |
CN-111601809-A | Triazolo-pyrimidine compounds and uses thereof | 20180912 |
CN-111635408-A | Triazolo-pyrimidine compounds and uses thereof | 20180912 |
TW-202024089-A | Triazolo-pyrimidine compounds and uses thereof | 20180912 |
Complexity: | 345 |
Compound Is Canonicalized: | Yes |
Covalently-Bonded Unit Count: | 1 |
Defined Atom Stereocenter Count: | 0 |
Defined Bond Stereocenter Count: | 0 |
Exact Mass: | 258.153958 |
Formal Charge: | 0 |
Heavy Atom Count: | 19 |
Hydrogen Bond Acceptor Count: | 3 |
Hydrogen Bond Donor Count: | 0 |
Isotope Atom Count: | 0 |
Monoisotopic Mass: | 258.153958 |
Rotatable Bond Count: | 1 |
Topological Polar Surface Area: | 36.3 |
Undefined Atom Stereocenter Count: | 0 |
Undefined Bond Stereocenter Count: | 0 |
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